[1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate

Systemtic Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-decoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C37H52O3 MolecularWeight: 544.80698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C37H52O3/c1-4-6-8-10-11-12-13-18-30-39-31(3)37(28-26-34(27-29-37)33-20-16-14-17-21-33)40-36(38)35-24-22-32(23-25-35)19-15-9-7-5-2/h14,16-17,20-29,31,34H,4-13,15,18-19,30H2,1-3H3